Skip to content

[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone

C22H23N3O4S — CID 118878837

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H]2c2cccc(S(C)(=O)=O)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H23N3O4S/c1-29-21-12-16(8-9-19(21)17-13-23-24-14-17)22(26)25-10-4-7-20(25)15-5-3-6-18(11-15)30(2,27)28/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyVTLSDDFCKSOXNK-HXUWFJFHSA-N
MW425.51 g/mol
LogP3.47
Rot. Bonds5

About [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone

[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 118878837) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
PubChem CID118878837
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H]2c2cccc(S(C)(=O)=O)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H23N3O4S/c1-29-21-12-16(8-9-19(21)17-13-23-24-14-17)22(26)25-10-4-7-20(25)15-5-3-6-18(11-15)30(2,27)28/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyVTLSDDFCKSOXNK-HXUWFJFHSA-N
XLogP3.47
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone (CID 118878837) is [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone is COc1cc(C(=O)N2CCC[C@@H]2c2cccc(S(C)(=O)=O)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is VTLSDDFCKSOXNK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-21-12-16(8-9-19(21)17-13-23-24-14-17)22(26)25-10-4-7-20(25)15-5-3-6-18(11-15)30(2,27)28/h3,5-6,8-9,11-14,20H,4,7,10H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone?
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 425.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118878837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.